(7S)-7-[2-(1,3-dioxolan-2-yl)ethoxy]-4,5,6,7-tetrahydro-1H-indazole

C12H18N2O3 — CID 99830017

IUPAC(7S)-7-[2-(1,3-dioxolan-2-yl)ethoxy]-4,5,6,7-tetrahydro-1H-indazole
SMILESc1n[nH]c2c1CCC[C@@H]2OCCC1OCCO1
InChIInChI=1S/C12H18N2O3/c1-2-9-8-13-14-12(9)10(3-1)15-5-4-11-16-6-7-17-11/h8,10-11H,1-7H2,(H,13,14)/t10-/m0/s1
InChIKeyGNPLETKELKQGIV-JTQLQIEISA-N
MW238.29 g/mol
LogP1.57
Rot. Bonds4

About (7S)-7-[2-(1,3-dioxolan-2-yl)ethoxy]-4,5,6,7-tetrahydro-1H-indazole

(7S)-7-[2-(1,3-dioxolan-2-yl)ethoxy]-4,5,6,7-tetrahydro-1H-indazole (PubChem CID 99830017) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is (7S)-7-[2-(1,3-dioxolan-2-yl)ethoxy]-4,5,6,7-tetrahydro-1H-indazole.

Molecular Properties

Compound Name(7S)-7-[2-(1,3-dioxolan-2-yl)ethoxy]-4,5,6,7-tetrahydro-1H-indazole
PubChem CID99830017
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name(7S)-7-[2-(1,3-dioxolan-2-yl)ethoxy]-4,5,6,7-tetrahydro-1H-indazole
SMILESc1n[nH]c2c1CCC[C@@H]2OCCC1OCCO1
InChIInChI=1S/C12H18N2O3/c1-2-9-8-13-14-12(9)10(3-1)15-5-4-11-16-6-7-17-11/h8,10-11H,1-7H2,(H,13,14)/t10-/m0/s1
InChIKeyGNPLETKELKQGIV-JTQLQIEISA-N
XLogP1.57
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-[2-(1,3-dioxolan-2-yl)ethoxy]-4,5,6,7-tetrahydro-1H-indazole?
The IUPAC name of (7S)-7-[2-(1,3-dioxolan-2-yl)ethoxy]-4,5,6,7-tetrahydro-1H-indazole (CID 99830017) is (7S)-7-[2-(1,3-dioxolan-2-yl)ethoxy]-4,5,6,7-tetrahydro-1H-indazole.
What is the SMILES notation for (7S)-7-[2-(1,3-dioxolan-2-yl)ethoxy]-4,5,6,7-tetrahydro-1H-indazole?
The canonical SMILES for (7S)-7-[2-(1,3-dioxolan-2-yl)ethoxy]-4,5,6,7-tetrahydro-1H-indazole is c1n[nH]c2c1CCC[C@@H]2OCCC1OCCO1.
What is the InChIKey of (7S)-7-[2-(1,3-dioxolan-2-yl)ethoxy]-4,5,6,7-tetrahydro-1H-indazole?
The InChIKey is GNPLETKELKQGIV-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N2O3/c1-2-9-8-13-14-12(9)10(3-1)15-5-4-11-16-6-7-17-11/h8,10-11H,1-7H2,(H,13,14)/t10-/m0/s1.
What are the key properties of (7S)-7-[2-(1,3-dioxolan-2-yl)ethoxy]-4,5,6,7-tetrahydro-1H-indazole?
(7S)-7-[2-(1,3-dioxolan-2-yl)ethoxy]-4,5,6,7-tetrahydro-1H-indazole has a molecular weight of 238.29 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-[2-(1,3-dioxolan-2-yl)ethoxy]-4,5,6,7-tetrahydro-1H-indazole is sourced from PubChem (CID 99830017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).